3-chloro-4-(2,6-difluorophenyl)-6-methyl-5-(4-methylpiperidin-1-yl)pyridazine

C17H18ClF2N3 — CID 87584707

IUPAC3-chloro-4-(2,6-difluorophenyl)-6-methyl-5-(4-methylpiperidin-1-yl)pyridazine
SMILESCc1nnc(Cl)c(-c2c(F)cccc2F)c1N1CCC(C)CC1
InChIInChI=1S/C17H18ClF2N3/c1-10-6-8-23(9-7-10)16-11(2)21-22-17(18)15(16)14-12(19)4-3-5-13(14)20/h3-5,10H,6-9H2,1-2H3
InChIKeyIGSBGIOQQAZKGI-UHFFFAOYSA-N
MW337.80 g/mol
LogP4.62
Rot. Bonds2

About 3-chloro-4-(2,6-difluorophenyl)-6-methyl-5-(4-methylpiperidin-1-yl)pyridazine

3-chloro-4-(2,6-difluorophenyl)-6-methyl-5-(4-methylpiperidin-1-yl)pyridazine (PubChem CID 87584707) has the molecular formula C17H18ClF2N3 and a molecular weight of 337.80 g/mol. Its IUPAC name is 3-chloro-4-(2,6-difluorophenyl)-6-methyl-5-(4-methylpiperidin-1-yl)pyridazine.

Molecular Properties

Compound Name3-chloro-4-(2,6-difluorophenyl)-6-methyl-5-(4-methylpiperidin-1-yl)pyridazine
PubChem CID87584707
Molecular FormulaC17H18ClF2N3
Molecular Weight337.80 g/mol
Exact Mass337.12
IUPAC Name3-chloro-4-(2,6-difluorophenyl)-6-methyl-5-(4-methylpiperidin-1-yl)pyridazine
SMILESCc1nnc(Cl)c(-c2c(F)cccc2F)c1N1CCC(C)CC1
InChIInChI=1S/C17H18ClF2N3/c1-10-6-8-23(9-7-10)16-11(2)21-22-17(18)15(16)14-12(19)4-3-5-13(14)20/h3-5,10H,6-9H2,1-2H3
InChIKeyIGSBGIOQQAZKGI-UHFFFAOYSA-N
XLogP4.62
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.80
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-chloro-4-(2,6-difluorophenyl)-6-methyl-5-(4-methylpiperidin-1-yl)pyridazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(2,6-difluorophenyl)-6-methyl-5-(4-methylpiperidin-1-yl)pyridazine?
The IUPAC name of 3-chloro-4-(2,6-difluorophenyl)-6-methyl-5-(4-methylpiperidin-1-yl)pyridazine (CID 87584707) is 3-chloro-4-(2,6-difluorophenyl)-6-methyl-5-(4-methylpiperidin-1-yl)pyridazine.
What is the SMILES notation for 3-chloro-4-(2,6-difluorophenyl)-6-methyl-5-(4-methylpiperidin-1-yl)pyridazine?
The canonical SMILES for 3-chloro-4-(2,6-difluorophenyl)-6-methyl-5-(4-methylpiperidin-1-yl)pyridazine is Cc1nnc(Cl)c(-c2c(F)cccc2F)c1N1CCC(C)CC1.
What is the InChIKey of 3-chloro-4-(2,6-difluorophenyl)-6-methyl-5-(4-methylpiperidin-1-yl)pyridazine?
The InChIKey is IGSBGIOQQAZKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClF2N3/c1-10-6-8-23(9-7-10)16-11(2)21-22-17(18)15(16)14-12(19)4-3-5-13(14)20/h3-5,10H,6-9H2,1-2H3.
What are the key properties of 3-chloro-4-(2,6-difluorophenyl)-6-methyl-5-(4-methylpiperidin-1-yl)pyridazine?
3-chloro-4-(2,6-difluorophenyl)-6-methyl-5-(4-methylpiperidin-1-yl)pyridazine has a molecular weight of 337.80 g/mol, XLogP of 4.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(2,6-difluorophenyl)-6-methyl-5-(4-methylpiperidin-1-yl)pyridazine is sourced from PubChem (CID 87584707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).